2-amino-3-cyano-N-(3-methoxyphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide

C16H16N4O2S — CID 127265523

IUPAC2-amino-3-cyano-N-(3-methoxyphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
SMILESCOc1cccc(NC(=O)N2CCc3c(sc(N)c3C#N)C2)c1
InChIInChI=1S/C16H16N4O2S/c1-22-11-4-2-3-10(7-11)19-16(21)20-6-5-12-13(8-17)15(18)23-14(12)9-20/h2-4,7H,5-6,9,18H2,1H3,(H,19,21)
InChIKeySFVLYJKCTGNOTE-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.80
Rot. Bonds2

About 2-amino-3-cyano-N-(3-methoxyphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide

2-amino-3-cyano-N-(3-methoxyphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide (PubChem CID 127265523) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-amino-3-cyano-N-(3-methoxyphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-amino-3-cyano-N-(3-methoxyphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
PubChem CID127265523
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name2-amino-3-cyano-N-(3-methoxyphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
SMILESCOc1cccc(NC(=O)N2CCc3c(sc(N)c3C#N)C2)c1
InChIInChI=1S/C16H16N4O2S/c1-22-11-4-2-3-10(7-11)19-16(21)20-6-5-12-13(8-17)15(18)23-14(12)9-20/h2-4,7H,5-6,9,18H2,1H3,(H,19,21)
InChIKeySFVLYJKCTGNOTE-UHFFFAOYSA-N
XLogP2.80
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-3-cyano-N-(3-methoxyphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide with MolForge

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Related Compounds

6-acetyl-2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 42281672
N-[3-[1-[(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]-3-methoxybenzamide
CID 18909786
2-amino-6-(pyridine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 82098267
2-amino-6-(4-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 82098256
N-[3-cyano-6-(3-pyridin-4-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(3-methoxyphenyl)propanamide
CID 59389861
2-amino-3-cyano-N-cyclohexyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 82098264
2,3-dihydroxypropyl 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 59345904
ethyl 3-cyano-2-[(2,6-dimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 4062915
pyridin-3-ylmethyl 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 11857439
4-(3-cyanophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113611
2-amino-6-(4-cyano-1-methylpyrrole-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 75383467
2-amino-6-(3-methylbutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 82098250

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-cyano-N-(3-methoxyphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The IUPAC name of 2-amino-3-cyano-N-(3-methoxyphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide (CID 127265523) is 2-amino-3-cyano-N-(3-methoxyphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide.
What is the SMILES notation for 2-amino-3-cyano-N-(3-methoxyphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The canonical SMILES for 2-amino-3-cyano-N-(3-methoxyphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide is COc1cccc(NC(=O)N2CCc3c(sc(N)c3C#N)C2)c1.
What is the InChIKey of 2-amino-3-cyano-N-(3-methoxyphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The InChIKey is SFVLYJKCTGNOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-22-11-4-2-3-10(7-11)19-16(21)20-6-5-12-13(8-17)15(18)23-14(12)9-20/h2-4,7H,5-6,9,18H2,1H3,(H,19,21).
What are the key properties of 2-amino-3-cyano-N-(3-methoxyphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
2-amino-3-cyano-N-(3-methoxyphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-cyano-N-(3-methoxyphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide is sourced from PubChem (CID 127265523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).